General Information of the Compound
| Compound ID |
CP0232075
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| Compound Name |
2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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| InChIKey |
QKYNIAXWTMUDKW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound